5OK3

Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp241 and Fasudil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.886
Spacegroup name	P 21 21 21
Unit cell lengths	58.609, 73.281, 108.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.771 - 1.588
R-factor	0.1411
Rwork	0.140
R-free	0.17160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.947
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.771	1.680
High resolution limit [Å]	1.590	1.590
Number of reflections	63596	9999
<I/σ(I)>	26.22	3.14
Completeness [%]	99.7	98.4
Redundancy	7.34	7.51
CC(1/2)	1.000	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277.15	5 mM Mes-Bis-Tris, 75 mM lithium chloride,1 mM DTT, 0.1 mM sodium EDTA, 0,25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM Fasudil x HCl, 20 % v/v methanol/water in reservoir